Version2.0 2019-11-13T13:36:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 14-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCNC(=O)N(CC[NH+]1CCN(CC1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])CC3=CC[C@H]4C[C@@H]3C4(C)C C35000823 RHF 6-31G(d) (6D,7F) CCNC(=O)N(CC[NH+]1CCN(CC1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])CC3=CC[C@H]4C[C@@H]3C4(C)C C01[X(C26H39N6O4)] 219 C1 618 CCNC(=O)N(CC1=CC[C@H]2C[C@@H]1C2(C)C)CC[NH+]1CCN(CC1)C(=O)Nc1ccc(cc1)[N+](=O)[O-] CCNC(=O)N(CC1=CC[C@H]2C[C@@H]1C2(C)C)CC[NH+]1CCN(CC1)C(=O)Nc1ccc(cc1)[N+](=O)[O-] CCNC(=O)N(CC[NH+]1CCN(CC1)C(=O)Nc2ccc(cc2)[N+]([O-])=O)CC3=CC[C@H]4C[C@@H]3C4(C)C InChIKey=ZYRXWUVZMIVGSI-REWPJTCUSA-O InChI=1S/C26H38N6O4/c1-4-27-24(33)31(18-19-5-6-20-17-23(19)26(20,2)3)16-13-29-11-14-30(15-12-29)25(34)28-21-7-9-22(10-8-21)32(35)36/h5,7-10,20,23H,4,6,11-18H2,1-3H3,(H,27,33)(H,28,34)/p+1/t20-,23-/m0/s1 InChI=1/C26H38N6O4/c1-4-27-24(33)31(18-19-5-6-20-17-23(19)26(20,2)3)16-13-29-11-14-30(15-12-29)25(34)28-21-7-9-22(10-8-21)32(35)36/h5,7-10,20,23H,4,6,11-18H2,1-3H3,(H,27,33)(H,28,34)/p+1/t20-,23-/m0/s1/fC26H39N6O4/h27-29H/q+1 CCNC(=O)N(CC[NH+]1CCN(CC1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])CC3=CC[C@H]4C[C@@H]3C4(C)C C01[X(C26H39N6O4)] 219 C01 618 CCNC(=O)N(CC1=CC[C@H]2C[C@@H]1C2(C)C)CC[NH+]1CCN(CC1)C(=O)Nc1ccc(cc1)[N+](=O)[O-] CCN[C@H](N(CC1=CC[C@H]2C[C@@H]1C2(C)C)CC[NH]1CCN(CC1)C(=O)Nc1ccc(cc1)N(O)O)O CCN[C@@H](O)N(CC[NH]1CCN(CC1)C(=O)Nc2ccc(cc2)N(O)O)CC3=CC[C@H]4C[C@@H]3C4(C)C InChIKey=FKUICXVMSLKWFD-NKKJXINNSA-N InChI=1S/C26H43N6O4/c1-4-27-24(33)31(18-19-5-6-20-17-23(19)26(20,2)3)16-13-29-11-14-30(15-12-29)25(34)28-21-7-9-22(10-8-21)32(35)36/h5,7-10,20,23-24,27,29,33,35-36H,4,6,11-18H2,1-3H3,(H,28,34)/t20-,23-,24+/m0/s1 InChI=1/C26H43N6O4/c1-4-27-24(33)31(18-19-5-6-20-17-23(19)26(20,2)3)16-13-29-11-14-30(15-12-29)25(34)28-21-7-9-22(10-8-21)32(35)36/h5,7-10,20,23-24,27,29,33,35-36H,4,6,11-18H2,1-3H3,(H,28,34)/t20-,23-,24+/m0/s1/f/h28H 3837.7646910685 -1633.1255446 1-A 35826.0531 134 484 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65309 -20.65291 -20.64987 -20.64866 -15.90902 -15.81469 -15.71624 -15.71585 -15.71255 -15.70016 -11.50426 -11.50227 -11.43068 -11.42864 -11.41772 -11.41505 -11.40804 -11.39534 -11.39507 -11.38901 -11.36405 -11.35982 -11.33896 -11.33646 -11.33082 -11.32975 -11.32291 -11.32212 -11.32182 -11.32115 -11.31504 -11.30994 -11.30902 -11.30160 -11.29303 -11.28894 -1.68728 -1.53686 -1.53314 -1.47216 -1.47097 -1.39202 -1.38353 -1.36305 -1.34543 -1.27257 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1872.70 1881.08 1894.79 1905.52 1913.85 1919.04 1938.08 1953.48 1979.24 1991.26 2011.54 2013.72 2014.65 2028.91 2040.61 2066.34 2072.42 2094.30 2098.23 2115.26 2124.66 2158.60 2166.16 2171.28 2184.76 2189.09 2195.04 2210.12 2214.89 2238.56 2241.98 2255.48 2259.16 2262.22 2267.33 2270.84 2282.98 2337.51 2341.64 2346.42 2348.62 2349.47 2355.88 2356.11 2356.42 2359.93 2361.90 2363.86 2373.28 2376.44 2393.12 2394.70 2397.86 2408.65 2409.94 2422.87 2427.37 2474.07 2494.52 2578.48 2596.33 2623.52 2692.13 2704.80 2815.23 4598.69 4605.66 4616.71 4618.48 4644.43 4648.15 4662.99 4668.31 4669.19 4676.49 4677.38 4679.02 4687.66 4691.12 4695.62 4701.09 4703.56 4713.35 4730.42 4736.12 4742.37 4743.16 4758.22 4759.45 4775.63 4783.75 4787.05 4788.60 4798.11 4800.35 4810.38 4825.31 4829.75 4839.93 4944.31 4949.65 4993.26 5570.87 5625.23 0.700410 0.733106 0.734051 0.630079 -1632.425134 -1632.392438 -1632.391494 -1632.495466 3.487238D-04 MUNgauss RevisionA1.9 retrievium 13-Nov-2019 DUDE CCNC(=O)N(CC[NH+]1CCN(CC1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])CC3=CC[C@H]4C[C@@H]3C4(C)C C35000823 RHF 6-31G(d) (6D,10F) C1 499.303236 |X|Y|Z| 55.830121 34.364899 177.561262 69.841028 25 6 7 21 4 |36.858105| |12.522895|36.858105| |7.799466|13.024560|53.358707| |5.134284|7.797320|19.357304|36.858105| |4.524003|6.970922|11.614880|15.493898|73.516695| |3.998706|5.164135|11.109562|13.970381|15.077072|53.358707| |3.134364|3.928976|7.124008|7.887575|12.622484|17.836044|36.858105| |2.790074|3.434954|5.784999|5.932481|10.895393|10.281737|12.425184|36.858105| |2.843226|3.596850|5.660087|5.733227|12.655087|7.989877|7.535326|12.699964|53.358707| |3.319282|4.422502|6.990917|7.590710|19.936312|9.265239|7.664392|9.443054|25.266924|0.500000| |2.498086|3.103864|4.671026|4.463122|9.883690|6.117190|5.884616|7.637439|17.289801|0.258720|36.858105| |2.430808|3.004443|4.254857|3.840346|8.755592|4.903172|4.196893|4.976973|10.483309|0.198332|12.509736|36.858105| |2.283409|2.752285|3.855660|3.367697|7.350279|4.332309|3.571460|4.432751|8.993450|0.164555|7.733733|13.116333|53.358707| |2.528248|3.065786|4.334721|3.800104|8.253202|4.835144|3.837363|4.962295|10.427548|0.195258|6.614067|7.930218|17.845802|36.858105| |2.617882|3.189373|4.807669|4.430316|9.235711|6.023182|5.011473|7.653049|17.376651|0.255804|7.717541|6.643993|10.513671|12.455115|36.858105| |1.961489|2.298335|3.237207|2.769575|5.752872|3.684521|3.070815|3.793977|6.811220|0.120861|5.991969|7.906207|18.541818|7.690248|5.869453|36.858105| |1.841747|2.146804|3.055153|2.620082|5.360292|3.559301|3.043874|3.706052|6.295825|0.110167|6.029109|7.133538|11.435410|5.528636|4.923978|15.917461|73.516695| |1.837670|2.111945|2.940017|2.451301|4.977979|3.251091|2.625757|3.191090|5.431642|0.099697|4.309666|5.267703|11.236865|6.590090|4.949974|13.976768|14.904158|53.358707| |1.621857|1.830068|2.550536|2.095042|4.149893|2.817313|2.267463|2.702697|4.331245|0.080008|3.414333|3.900120|7.062225|4.501411|3.793644|7.651526|11.607112|18.400999|36.858105| |1.539695|1.714097|2.362166|1.905811|3.736986|2.544049|2.003142|2.340528|3.682895|0.069778|2.810430|3.185667|5.568345|3.809982|3.214733|5.174288|7.938359|10.884696|13.668162|36.858105| |1.388041|1.527455|2.108105|1.686109|3.259735|2.268943|1.781939|2.052459|3.135641|0.059645|2.389494|2.630456|4.347207|3.010760|2.664899|3.904487|6.431346|7.083409|7.912293|13.828156|36.858105| |1.319652|1.451402|2.020039|1.621860|3.117069|2.207844|1.753339|2.016284|3.029082|0.057072|2.342043|2.521675|4.043371|2.754036|2.522714|3.697114|6.470195|6.231896|6.916798|8.017271|13.777469|36.858105| |1.368108|1.517086|2.130127|1.730172|3.337298|2.374516|1.918121|2.228413|3.350262|0.062108|2.650020|2.824861|4.501402|2.973771|2.766156|4.325669|8.004238|6.985322|7.954665|6.890285|7.907802|13.797801|36.858105| |1.512886|1.699797|2.393716|1.970510|3.855889|2.696105|2.203174|2.612511|4.045322|0.073823|3.264195|3.550382|5.901738|3.734774|3.396725|6.290273|11.685718|10.504177|13.696028|7.902944|6.829863|7.963631|13.776803|36.858105| |1.200777|1.307941|1.818584|1.447309|2.753159|1.976484|1.559679|1.766887|2.604197|0.049482|1.999686|2.120320|3.297309|2.280663|2.130955|2.891299|5.136256|4.617960|4.526461|5.140470|7.782115|13.097926|7.780747|5.122049|53.358707| |1.164025|1.260313|1.742498|1.376184|2.610704|1.870154|1.460860|1.643186|2.419449|0.046411|1.837482|1.955199|3.036209|2.132116|1.981750|2.593936|4.522206|4.154796|3.906202|4.692257|7.097522|8.403232|5.429261|4.089865|21.728638|73.516695| |1.153434|1.254948|1.753086|1.396661|2.644601|1.920406|1.523553|1.717982|2.501437|0.047391|1.933206|2.020665|3.079714|2.119861|2.016931|2.691091|4.913748|4.135010|3.908169|4.103068|5.427987|8.400232|7.086656|4.680635|21.736051|15.999434|73.516695| |3.788636|4.388430|9.000497|7.568813|9.373429|17.654573|7.659714|5.499333|5.789154|0.127400|3.428463|2.849125|3.557301|2.910529|3.558110|2.301313|3.976677|2.834366|1.846336|1.689397|1.527793|1.492712|1.594742|1.781569|1.839354|2.282703|2.343068|36.858105| |3.316054|3.675899|6.865488|5.391704|7.349535|10.340394|6.056472|4.321404|4.683921|0.100677|2.991109|2.509782|3.097857|2.445123|2.891378|2.046536|3.603585|2.520810|1.666283|1.527198|1.395833|1.375634|1.472160|1.629133|1.709455|2.120658|2.192736|12.627595|36.858105| |2.715444|2.934561|5.114387|4.020295|5.889531|7.287494|4.962109|3.862447|4.149056|0.086008|2.708974|2.274186|2.842461|2.222862|2.629009|1.919101|3.414613|2.378763|1.593824|1.462101|1.347970|1.338713|1.435306|1.575800|1.673638|2.073413|2.158774|7.682781|14.385490|36.858105| |2.405853|2.540200|4.210548|3.213186|4.891900|5.350294|3.775596|3.052363|3.439227|0.071205|2.334926|2.002620|2.499696|1.919005|2.207225|1.707933|3.064746|2.126263|1.439424|1.326551|1.232824|1.229863|1.316264|1.432484|1.549132|1.922037|2.006981|4.920615|7.751423|12.588989|36.858105| |2.592699|2.710372|4.431729|3.274366|4.975602|5.182509|3.540060|2.810524|3.284774|0.069487|2.261108|1.972910|2.436846|1.857518|2.092936|1.651478|2.956084|2.052756|1.384557|1.279733|1.187342|1.179964|1.258792|1.370810|1.486277|1.848759|1.921400|4.519011|7.002492|7.614029|12.395045|36.858105| |2.322565|2.394712|3.788909|2.781052|4.335457|4.272869|2.981719|2.445837|2.911605|0.061261|2.035179|1.798706|2.231107|1.687645|1.878447|1.524768|2.739218|1.903963|1.293069|1.199340|1.118521|1.114325|1.186682|1.284804|1.410354|1.756527|1.827676|3.595759|5.011456|5.516401|8.740560|17.571440|0.500000| |3.133049|3.179002|5.284518|3.668554|5.378177|5.627838|3.536846|2.810723|3.337637|0.072168|2.245731|1.986151|2.470223|1.912216|2.143823|1.653685|2.919831|2.067788|1.386467|1.289188|1.191488|1.174543|1.244880|1.357876|1.476673|1.844608|1.898295|5.138483|7.740176|6.841833|7.612218|12.317903|0.232932|36.858105| |3.552253|3.861027|6.913800|5.010871|6.997988|8.075314|4.831218|3.531478|4.114703|0.090445|2.736546|2.366659|2.885031|2.236465|2.544401|1.901696|3.355036|2.343464|1.551333|1.428760|1.308589|1.287784|1.373142|1.514318|1.605549|1.997521|2.059478|7.219454|12.508612|7.849550|6.891014|9.035546|0.170537|12.269013|36.858105| |4.328968|4.813747|8.887410|6.011001|8.109974|8.723653|4.871706|3.561246|4.303929|0.097597|2.849072|2.501631|3.028613|2.356379|2.644529|1.966924|3.440161|2.420104|1.589009|1.465746|1.335411|1.306363|1.389059|1.537905|1.623386|2.023373|2.073853|6.931675|8.688733|5.680710|4.951851|6.141781|0.132057|8.336247|17.559720|0.500000| |2.858284|3.112440|5.162578|3.925054|5.953237|6.186839|4.269435|3.196298|3.757851|0.080649|2.619312|2.262480|2.727365|2.059364|2.316912|1.825708|3.275922|2.237621|1.493642|1.370276|1.262233|1.252378|1.342349|1.474901|1.567270|1.943934|2.022439|4.942318|7.479216|6.602351|7.453417|12.210320|0.232533|8.861963|12.153949|0.232460|36.858105| |2.552029|2.868099|4.708468|3.837331|6.084847|6.228855|4.866666|3.578925|4.129204|0.086531|2.969028|2.492144|2.949960|2.186868|2.484186|1.988936|3.627140|2.402219|1.602774|1.453464|1.337335|1.336323|1.447169|1.598127|1.666851|2.053959|2.159682|4.587836|6.242994|5.967792|6.292951|7.147374|0.162932|5.331482|7.102224|0.162172|12.463271|36.858105| |2.816451|3.012145|4.702459|3.446899|5.426241|4.996549|3.448730|2.700852|3.330971|0.072227|2.378420|2.119197|2.546975|1.900267|2.078896|1.705765|3.059839|2.097733|1.403460|1.294298|1.194750|1.183354|1.263153|1.382913|1.485258|1.847597|1.915637|3.764337|4.878329|4.339977|4.863013|7.405861|0.189473|6.655368|7.412662|0.190535|12.407763|7.722573|36.858105| |17.584505|8.874496|7.669990|4.183511|6.994271|4.540091|2.737723|2.493231|3.529163|0.083302|2.325651|2.317844|2.985494|2.405795|2.425856|1.890648|3.147127|2.429229|1.579425|1.510249|1.363186|1.291028|1.331403|1.467619|1.601874|2.035569|2.005420|3.133124|2.801950|2.357682|2.127480|2.290869|0.057944|2.703425|3.001426|0.099000|2.514158|2.279131|2.527620|0.500000| |17.540390|8.785279|9.522821|4.728206|7.214148|5.272216|3.046164|2.645131|3.582807|0.083997|2.349167|2.256907|2.858438|2.287058|2.393004|1.827138|3.086645|2.322398|1.518431|1.438729|1.305517|1.249468|1.298620|1.429778|1.554576|1.966150|1.959291|3.806708|3.498765|2.848178|2.568104|2.845076|0.070832|3.548747|3.943955|0.136726|3.130933|2.703959|3.147514|0.302427|0.500000| |17.562633|8.801187|9.576352|4.815926|7.415745|5.331915|3.051489|2.774404|3.801130|0.089338|2.408605|2.329287|3.036985|2.514669|2.632533|1.928782|3.205883|2.483955|1.616596|1.542099|1.392565|1.321509|1.365361|1.505631|1.638866|2.079285|2.053571|3.868610|3.298521|2.732075|2.391797|2.522329|0.062692|3.058837|3.393271|0.110814|2.704236|2.419361|2.601123|0.301398|0.300373|0.500000| |8.831256|17.581158|12.368549|6.845250|11.998392|6.406091|3.791455|3.268119|4.727022|0.118168|3.133425|3.076083|3.734951|2.955026|3.015844|2.292045|3.839785|2.838988|1.807961|1.687130|1.504753|1.434194|1.503535|1.685758|1.759836|2.211379|2.209835|3.917641|3.458619|2.789426|2.470348|2.686592|0.066516|3.092323|3.779488|0.132355|3.168772|2.948213|3.176043|0.213241|0.210328|0.172836|0.500000| |8.845782|17.633501|12.511679|7.119964|12.962518|6.519752|3.803041|3.519304|5.255557|0.134257|3.273964|3.260036|4.151180|3.491136|3.534582|2.497841|4.070556|3.143731|1.977204|1.857495|1.639979|1.544102|1.607837|1.811471|1.882668|2.373118|2.345262|3.991158|3.271277|2.684467|2.316192|2.414855|0.059756|2.758525|3.295214|0.108777|2.734496|2.594135|2.623157|0.212738|0.172854|0.211326|0.303364|0.500000| |7.514205|9.045616|26.120641|9.427522|10.906026|10.228977|4.836806|3.849725|4.899909|0.117502|3.033982|2.740324|3.406186|2.778782|3.103111|2.149926|3.646493|2.676388|1.729821|1.608341|1.448624|1.395413|1.469976|1.638019|1.721603|2.156919|2.176062|7.397013|5.897342|4.217072|3.457287|3.706621|0.086591|4.697431|6.183832|0.231964|4.244206|3.658194|3.805871|0.147527|0.214966|0.196266|0.196598|0.182605|0.500000| |2.814420|3.365746|5.972211|5.829696|9.107026|12.660922|17.639938|8.995667|7.617423|0.150165|4.770674|3.523422|4.184601|3.249089|4.152542|2.748799|4.935159|3.245381|2.105733|1.868379|1.683753|1.672840|1.832905|2.079192|2.043482|2.497727|2.625998|7.717188|7.013889|6.187364|4.510241|4.001901|0.092314|3.807776|5.161060|0.133768|4.744789|5.692856|3.622105|0.068622|0.077603|0.076793|0.090490|0.089280|0.119566|0.500000| |3.071116|3.906977|6.736344|7.274902|13.094665|12.427125|17.623132|8.790428|9.657865|0.208005|6.533684|4.602506|5.006412|3.756222|4.600446|3.139873|5.620152|3.584449|2.265795|1.991297|1.769482|1.744687|1.916133|2.208135|2.110596|2.577648|2.696907|5.817607|5.187734|4.305331|3.513205|3.443192|0.081778|3.386306|4.639561|0.133705|4.361926|5.218422|3.661822|0.075594|0.083453|0.080856|0.109897|0.104205|0.125175|0.305556|0.500000| |2.819723|3.393999|5.759208|5.611470|9.678886|9.771855|8.840441|17.625117|12.361699|0.210702|5.648650|4.186401|5.465455|4.783175|7.606595|3.494228|5.927922|4.177117|2.629840|2.316324|2.039280|1.991352|2.174831|2.521132|2.384900|2.913161|3.018173|5.843936|4.321350|3.910983|3.025987|2.737101|0.066135|2.787486|3.418283|0.095071|3.005694|3.238932|2.530798|0.069595|0.073733|0.079894|0.086974|0.097538|0.107946|0.205727|0.173933|0.500000| |2.417830|2.892952|4.711070|4.515679|8.307480|7.592796|8.793711|17.610667|12.384257|0.184337|7.443539|4.742007|5.788639|4.476948|6.533959|3.870347|7.028411|4.384816|2.783197|2.374475|2.099725|2.097244|2.356705|2.767272|2.501939|3.011148|3.205658|4.530145|3.865227|3.650868|2.966089|2.687744|0.065824|2.608397|3.195881|0.087438|3.020493|3.494595|2.558181|0.060852|0.064439|0.066711|0.077757|0.081807|0.089408|0.226132|0.202692|0.301794|0.500000| |2.216118|2.672157|4.026772|3.718311|7.691469|5.322919|5.168389|7.002138|12.342662|0.180894|17.634230|8.834144|9.432991|5.805326|6.978396|6.397432|12.719917|6.147414|3.676823|2.944109|2.521082|2.521194|2.926854|3.656841|2.914438|3.453233|3.710978|3.146496|2.799733|2.613002|2.269953|2.162400|0.054449|2.114783|2.531130|0.071682|2.461785|2.823949|2.222015|0.057502|0.058404|0.059973|0.074393|0.077630|0.074485|0.125386|0.152176|0.149359|0.225039|0.500000| |2.572590|3.222836|4.904892|4.750831|10.446211|6.561868|6.586415|7.101347|12.360010|0.227167|17.646369|8.826273|7.634831|4.960244|5.629098|4.611095|8.539467|4.783434|2.901961|2.447149|2.123974|2.096455|2.355043|2.821861|2.477810|2.987644|3.152929|3.598433|3.230587|2.894046|2.513343|2.467487|0.061477|2.425428|3.014339|0.087472|2.941631|3.425044|2.677360|0.066200|0.068146|0.067861|0.092556|0.091766|0.088982|0.147165|0.235247|0.142604|0.191739|0.299810|0.500000| |2.196282|2.658914|3.730064|3.276402|7.172518|4.247539|3.637731|4.127713|7.622257|0.145173|8.936237|17.682437|12.466600|5.713863|4.955568|7.535011|14.039363|6.824378|3.882692|3.142894|2.629769|2.560033|2.905178|3.648440|2.935603|3.512874|3.679879|2.536388|2.298437|2.109948|1.891967|1.872564|0.047871|1.864161|2.197508|0.064093|2.146553|2.387401|2.036006|0.058676|0.057334|0.058209|0.076735|0.078736|0.067939|0.087946|0.112843|0.097458|0.114331|0.214681|0.212097|0.500000| |2.714850|3.445169|4.734029|4.252107|10.299854|5.116503|4.163851|4.618361|9.451158|0.210754|8.856070|17.562818|12.554433|7.180165|5.857709|5.821145|9.182604|6.009979|3.368456|2.878586|2.401425|2.275299|2.487854|3.031368|2.641628|3.223805|3.279109|2.924705|2.562824|2.279741|2.009644|2.010817|0.050827|2.053668|2.461957|0.073747|2.326761|2.519099|2.207508|0.072326|0.069247|0.071196|0.099733|0.105531|0.082879|0.095407|0.128753|0.109948|0.116381|0.173528|0.214525|0.302109|0.500000| |2.326685|2.736826|3.832517|3.242073|6.714930|4.185678|3.258701|4.133011|7.618035|0.143547|4.944438|5.690183|12.336446|17.657319|8.952919|7.162095|9.012762|10.236981|5.098952|4.446520|3.407373|3.025469|3.197546|4.005689|3.366296|4.133632|4.022593|2.621173|2.220315|2.046048|1.778274|1.713264|0.043497|1.765110|2.028674|0.058951|1.870398|1.970226|1.730129|0.062004|0.058528|0.065133|0.072674|0.086379|0.069423|0.079062|0.087401|0.115865|0.106669|0.129866|0.108871|0.127118|0.145148|0.500000| |2.850714|3.531876|4.833127|4.180703|9.446052|5.020779|3.792578|4.587903|9.348429|0.205394|5.791545|7.139533|12.522645|17.568289|8.845616|5.730890|7.882613|6.989583|3.746404|3.330337|2.690321|2.447603|2.591655|3.148108|2.811848|3.478675|3.416628|2.984903|2.487352|2.222807|1.920419|1.883741|0.047461|1.967405|2.309035|0.068742|2.099820|2.195627|1.955776|0.075811|0.070288|0.078275|0.094179|0.116044|0.084087|0.087934|0.104119|0.123514|0.110765|0.133829|0.130267|0.145229|0.215332|0.303410|0.500000| |2.809300|3.393258|5.185630|4.686438|9.262454|6.367416|4.902404|7.106137|12.398412|0.223952|5.625470|4.983147|7.631455|8.811595|17.613964|4.516898|6.889926|5.606278|3.310728|2.929059|2.471670|2.324547|2.495077|2.967897|2.714570|3.336201|3.351720|3.862679|3.026490|2.733941|2.262222|2.133847|0.052949|2.221258|2.621844|0.075801|2.330467|2.443587|2.077055|0.071589|0.070585|0.080200|0.086312|0.105687|0.092948|0.113880|0.119270|0.232302|0.159834|0.142658|0.126905|0.109166|0.131868|0.212806|0.215530|0.500000| |2.303365|2.730180|4.123117|3.706199|7.371321|5.275888|4.546933|7.059469|12.394139|0.179988|6.957140|5.779782|9.335786|8.777180|17.593871|6.187329|9.615981|7.160155|4.159483|3.423363|2.854215|2.750756|3.080686|3.834957|3.137442|3.763330|3.898623|3.260588|2.722881|2.546540|2.153968|2.013788|0.050508|2.030594|2.377447|0.067381|2.202930|2.391111|1.968042|0.059536|0.059362|0.064561|0.072291|0.082181|0.075989|0.110586|0.115683|0.197742|0.193876|0.207150|0.142663|0.129109|0.134129|0.214957|0.173072|0.300529|0.500000| |1.908412|2.190749|3.004353|2.477332|5.057763|3.225636|2.545955|3.049190|5.232356|0.099327|3.991711|4.998855|10.783406|7.023816|4.837003|9.505757|10.952547|26.059505|9.359320|7.715332|4.954894|4.116920|4.300098|5.749130|4.282386|5.194362|4.949978|2.066315|1.826005|1.710920|1.528024|1.483280|0.038200|1.507902|1.705927|0.049278|1.615457|1.715298|1.521367|0.051817|0.048816|0.052736|0.059887|0.067438|0.055506|0.063760|0.070740|0.082502|0.083280|0.110882|0.091823|0.128396|0.123498|0.242482|0.159554|0.115701|0.134436|0.500000| |1.601945|1.780867|2.429237|1.946062|3.829456|2.566001|1.992007|2.313883|3.676827|0.070822|2.752672|3.168559|5.608839|3.978507|3.243227|4.848581|7.144180|10.040812|8.876284|17.709269|8.978610|5.686080|4.960336|5.625768|5.677177|7.185513|6.058523|1.701685|1.529089|1.454654|1.317062|1.275850|0.033174|1.294873|1.434770|0.041110|1.366493|1.438292|1.294214|0.043859|0.041318|0.044651|0.048541|0.054098|0.045756|0.051256|0.054910|0.064031|0.064087|0.078148|0.066720|0.085318|0.081465|0.132926|0.098953|0.083401|0.093093|0.237169|0.500000| |1.332848|1.454761|1.996134|1.581193|3.039824|2.120070|1.647029|1.876182|2.843605|0.054720|2.141326|2.348587|3.819906|2.702352|2.401569|3.284722|5.399565|5.739473|5.630295|8.917384|17.787067|8.931742|5.642790|4.935036|9.768112|14.178227|8.826538|1.437413|1.315666|1.270982|1.166030|1.125476|0.029515|1.133135|1.237606|0.035112|1.191651|1.254478|1.131619|0.036509|0.034816|0.037232|0.039751|0.043394|0.038206|0.043318|0.045353|0.052104|0.052922|0.062006|0.053426|0.064941|0.060613|0.084904|0.068522|0.062938|0.070446|0.116965|0.215635|0.500000| |1.301645|1.438479|2.028596|1.646014|3.151494|2.277115|1.848037|2.128219|3.138342|0.058150|2.496049|2.603014|4.005426|2.653808|2.534109|3.743591|7.214799|5.643283|5.653102|4.966361|5.646601|8.956681|17.784567|8.927626|9.787904|8.838779|14.187599|1.539023|1.433563|1.407458|1.298214|1.238623|0.032539|1.217229|1.337893|0.037411|1.317223|1.426093|1.239329|0.035131|0.034506|0.036051|0.039684|0.042039|0.039099|0.049547|0.051365|0.057520|0.063200|0.077276|0.062497|0.075036|0.063837|0.077701|0.064852|0.063791|0.078575|0.098171|0.107741|0.124460|0.500000| |1.547419|1.749960|2.486759|2.069667|4.057775|2.858753|2.382094|2.844329|4.388610|0.078708|3.667380|3.895560|6.240769|3.817961|3.586410|6.851654|14.945501|9.493919|8.886348|5.630408|4.939071|5.672306|8.960090|17.838522|5.670343|6.051456|7.179768|1.877025|1.723341|1.670328|1.517503|1.448597|0.037664|1.424808|1.597993|0.044937|1.566602|1.716732|1.463531|0.041495|0.040778|0.042617|0.048394|0.051487|0.047285|0.062618|0.066756|0.074916|0.085491|0.118696|0.087664|0.113462|0.089819|0.109018|0.088570|0.085223|0.114538|0.142977|0.123741|0.107382|0.215659|0.500000| |3.255625|3.689750|6.942429|5.895430|8.107001|12.491491|7.133889|5.881590|5.851215|0.122483|3.400754|2.796840|3.571296|2.956022|3.726894|2.343325|4.051022|2.905458|1.903548|1.739611|1.576615|1.544798|1.653119|1.844299|1.903549|2.358312|2.427457|17.560588|8.952177|7.414046|4.670401|3.994143|0.090834|4.301927|5.400049|0.139462|4.141994|4.036632|3.210653|0.076767|0.089374|0.094328|0.091822|0.097304|0.150158|0.213478|0.144653|0.190468|0.137176|0.089075|0.096335|0.069080|0.077982|0.074928|0.082351|0.114538|0.097239|0.058514|0.048483|0.041141|0.044366|0.053988|0.500000| |4.453342|4.945578|10.460497|7.296814|8.917279|12.480592|5.647877|4.514862|5.148739|0.115862|3.062753|2.646215|3.361894|2.786478|3.309651|2.167956|3.702681|2.709644|1.767788|1.636244|1.481129|1.437300|1.521352|1.691233|1.775884|2.216895|2.253652|17.616308|8.875268|6.041135|4.289154|4.116034|0.093125|5.057018|6.492019|0.187173|4.343364|3.842676|3.506691|0.098934|0.124111|0.131308|0.116533|0.122635|0.264969|0.150383|0.128921|0.136456|0.104362|0.077744|0.087907|0.065443|0.076587|0.070575|0.080928|0.102095|0.083313|0.055498|0.046145|0.038944|0.040642|0.049013|0.306584|0.500000| |2.516224|2.718460|4.670954|3.731115|5.586621|6.782662|4.828178|4.017615|4.209891|0.085286|2.714172|2.264223|2.872582|2.263890|2.721239|1.956941|3.481925|2.437557|1.640471|1.503755|1.389006|1.382830|1.484516|1.627414|1.729305|2.139396|2.233023|7.014113|9.062987|17.666153|8.515935|5.442840|0.121203|5.028260|5.539897|0.123732|4.861678|4.769274|3.501921|0.061205|0.071924|0.071373|0.071113|0.070670|0.104058|0.169998|0.112566|0.117011|0.107515|0.073960|0.078918|0.058181|0.062238|0.058352|0.062113|0.079230|0.074409|0.048519|0.041437|0.036339|0.040486|0.047924|0.225469|0.154835|0.500000| |2.173290|2.318556|3.778125|2.948850|4.614436|4.885779|3.655838|3.006463|3.379844|0.068905|2.340724|1.995132|2.482137|1.882808|2.164918|1.713066|3.106176|2.124935|1.445721|1.326801|1.236846|1.241526|1.335378|1.450974|1.566160|1.936808|2.037946|4.221700|6.006282|8.872389|17.518877|8.743632|0.208815|5.512660|5.409524|0.115579|6.531233|6.615957|4.502209|0.054045|0.063752|0.059729|0.063309|0.059455|0.083838|0.123917|0.096134|0.081535|0.083476|0.064083|0.070299|0.052830|0.055051|0.048480|0.051850|0.060836|0.059403|0.042143|0.036394|0.032417|0.036771|0.042926|0.114673|0.101018|0.203587|0.500000| |2.261403|2.335838|3.801611|2.840879|4.361756|4.606819|3.212912|2.708141|3.097083|0.063966|2.097066|1.823671|2.307534|1.779349|2.033121|1.586147|2.836844|1.994611|1.359000|1.260672|1.177172|1.174120|1.250607|1.352368|1.485881|1.849057|1.925822|4.258546|6.003405|8.914543|17.515697|8.813195|0.212171|6.668816|5.400152|0.115377|5.456705|4.649361|4.034252|0.055878|0.067064|0.063240|0.062603|0.059555|0.086854|0.103626|0.082659|0.076037|0.073285|0.056934|0.061799|0.047921|0.050797|0.046265|0.049458|0.058326|0.055357|0.039912|0.034805|0.031040|0.034294|0.039594|0.116087|0.108281|0.206636|0.304439|0.500000| |3.167368|3.126227|4.972551|3.354479|5.022959|4.883376|3.093660|2.508737|3.061891|0.066627|2.086346|1.877824|2.336013|1.798306|1.981425|1.564069|2.758196|1.962328|1.317948|1.230792|1.139327|1.121240|1.184282|1.288291|1.412826|1.769297|1.815017|4.187108|5.564736|4.938909|5.517020|8.634183|0.207168|17.647307|8.586870|0.205237|7.314663|4.612089|7.048814|0.076807|0.102517|0.084530|0.085892|0.074650|0.121906|0.090060|0.084276|0.068752|0.064798|0.054395|0.062612|0.049244|0.054340|0.046219|0.051728|0.056813|0.051981|0.039892|0.034421|0.030181|0.032154|0.037437|0.098639|0.118208|0.108706|0.122262|0.141632|0.500000| |3.099502|3.069540|5.097402|3.487663|5.097785|5.368093|3.329521|2.727138|3.227671|0.069455|2.140640|1.900406|2.398119|1.876944|2.112319|1.610013|2.828211|2.029713|1.364915|1.274901|1.180420|1.161796|1.226954|1.334352|1.463227|1.831767|1.879053|5.179467|7.267141|6.854756|7.114181|8.429498|0.181638|17.586374|8.440419|0.181281|6.093163|4.300708|4.828281|0.074064|0.096626|0.086649|0.080840|0.074890|0.126895|0.099378|0.086218|0.076992|0.070170|0.056297|0.063174|0.049327|0.054391|0.048526|0.053579|0.061593|0.055730|0.041207|0.035628|0.031256|0.033296|0.038734|0.124720|0.148835|0.147148|0.141136|0.197730|0.300779|0.500000| |2.462098|2.776936|4.633369|3.882469|6.132213|6.693685|5.547429|4.045877|4.441942|0.090950|3.145325|2.572373|3.068772|2.290458|2.663590|2.081116|3.806867|2.509572|1.676265|1.513128|1.392051|1.395363|1.517574|1.678862|1.737701|2.134966|2.254829|5.061487|6.925110|7.275943|7.059567|6.525426|0.146514|4.931317|6.452028|0.144799|8.667083|17.626397|5.527621|0.060923|0.071342|0.065927|0.077659|0.070922|0.099264|0.200439|0.156271|0.101760|0.112006|0.084525|0.099613|0.067962|0.071032|0.057389|0.063070|0.072879|0.072092|0.049495|0.041436|0.036168|0.041604|0.050297|0.128872|0.112600|0.164955|0.220501|0.140562|0.114251|0.117104|0.500000| 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